SCHEMBL4896725

SCHEMBL4896725

N#CC1(C(=O)N2CCCC2)CCC(S(=O)(=O)CC2CC2)CC1.NCC1(CN2CCCC2)CCC(S(=O)(=O)CC2CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.31
SLC6A9 P48067 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3541184 0.87 CTSS (0.37) CTSSSLC6A9
SCHEMBL3548536 0.84 SLC6A9 (0.34) SLC6A9
SCHEMBL4896732 0.76
SCHEMBL3539975 0.74 SLC6A9 (0.33) CTSSSLC6A9
SCHEMBL3538540 0.66 SLC6A9 (0.44) SLC6A9
SCHEMBL3538535 0.66 SLC6A9 (0.44) SLC6A9
SCHEMBL3539310 0.65 HSD11B1 (0.33)
SCHEMBL18231651 0.65 HSD11B1 (0.39)
SCHEMBL18855653 0.64 HSD11B1 (0.41)
SCHEMBL669236 0.60 KDM1A (0.33)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP disclosed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO disclosed